TPCN00910

Name 1?R,10S,3S,4R-diepoxyguai-5S,6S,7S-11(13)-en-6,12-olide;1 R,10S,3S,4R-diepoxyguai-5S,6S,7S-11(13)-en-6,12-olide
Molecular Formula C14H16O4
Molecular Weight 248.28
CAS Registry Number 2555002-23-6
SMILES C=C1C(=O)OC2C1CCC1(C)OC13CC1OC1C23
Classify Sesquiterpenoids
Content
Family Species Part Content (%) Reference DOI
Asteraceae Tanacetopsis karataviensis Aerial parts 0.011000% Nat Prod Res: 1-10.(2019) 10.1080/14786419.2019.1647423
Asteraceae Tanacetopsis karataviensis Aerial parts 0.011000% Natural Product Research 35, 1939-1948 (2021). 10.1080/14786419.2019.1647423
Properties
HBA 4 HBD 0
HeavyAtoms 18 AlogP 1.19
TPSA 51.36 RotatableBonds 0
FractionCSP3 0.79 Rings 5
AromaticRings 0 AliphaticRings 5